The OH addition to benzene forms a chemically activated prereactive complex with a shallow well (ca. 3 kcal mol-1), which predominantly dissociates back to reactants. Additional reactions of the energized precomplex include stabilization, or forward reaction to form hydroxycyclohexadienyl radical,...
Reactions of PCBs with OH radical start with OH addition to the phenyl rings, forming PCB-n-OH adducts. Fate of biphenyl-n-OH (BP-n-OH, n = 2, 3, 4) adducts in the atmosphere is investigated. Calculations show that these radical adducts react similarly to benzene-OH adducts, forming ...
OH-initiated oxidation of benzene - Part II. Influence of elevated NOx concentrations The present work represents a continuation of part I of this series of papers, in which we investigated the phenol yields in the OH-initiated oxidation of ... Klotz, B,Volkamer, R,Hurley, M. D,... - ...
A survey of the potential energy surface for the (benzene)13 cluster We report on a survey of the potential energy surface for the 13-molecule benzene cluster, (C6H6)13, bound by an atom鈥揳tom intermolecular potential devel... D Chakrabarti,T Totton,M Kraft,... - 《Physical Chemistry Ch...
Its basic structure consists of a benzene ring attached to a phenol group, with a FMOC (9-fluorenylmethoxycarbonyl) protecting group. This compound is sparingly soluble in water. Safety information regarding FMOC-D-BPA-OH is not available. Applicable Fields Chemical Synthesis: FMOC-D-BPA-OH ...
The efficient use of renewable X/γ-rays or accelerated electrons for chemical transformation of CO2 and water to fuels holds promise for a carbon-neutral economy; however, such processes are challenging to implement and require the assistance of catalys
The first from benzene has trinuclear molecules [Tl3(Ph2pz)3] 1 linked by intermolecular Tl–π-η6-Ph contacts. Within 1 the three thallium atoms are different, having coordination numbers of two (but also with the Tlη6-Ph contact), three and four, whilst μ-η1:η1, μ...
Reaction of compound (1) with an excess of PMe2Ph gives an isomeric mixture of mer-[Ru(SOCPh)2(PMe2Ph)3] whereas shaking cis-[RuCl2(PMe2Ph)4] in benzene or methanol for short periods with [NH4][SOCPh] gives the facial isomer. If cis-[RuCl2(PMe2Ph)4] is shaken with [NH4][...
The mechanism and potential energy surface of the addition reactions of MeOH, PhOH and PhSH to some silastannenes were investigated by using density functional theory (DFT) calculations. The influences of the number of MeOH or PhOH molecule, some substituents at Si or Sn atoms, and benzene as...
water complexation to indole and its derivatives, and the hydrogen-bonded networks of benzene-(H2O)n and benzene-(CH3OH)n clusters are reviewed in specia... TS Zwier - 《Cheminform》 被引量: 378发表: 2003年 Conformation of a 16-residue zervamicin IIA analog peptide containing three different...